| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate computational thermochemistry from explicitly correlated coupled-cluster theory
|
Klopper, Wim
|
|
2010
|
126 |
5-6 |
p. 289-304
|
artikel
|
| 2 |
A sum-over-state scheme of analysis of hyperpolarizabilities and its application to spiroconjugated molecular system
|
Panja, Nabamita
|
|
2009
|
126 |
5-6 |
p. 323-337
|
artikel
|
| 3 |
Flexible-boundary QM/MM calculations: II. Partial charge transfer across the QM/MM boundary that passes through a covalent bond
|
Zhang, Yan
|
|
2009
|
126 |
5-6 |
p. 315-322
|
artikel
|
| 4 |
Fluorene-based oligomers as red light-emitting materials: a density functional theory study
|
Ren, Xue-Feng
|
|
2010
|
126 |
5-6 |
p. 305-314
|
artikel
|
| 5 |
Note on the electron–electron counterbalance hole
|
Koga, Toshikatsu
|
|
2010
|
126 |
5-6 |
p. 383-385
|
artikel
|
| 6 |
The optimum contraction of basis sets for calculating spin–spin coupling constants
|
Jensen, Frank
|
|
2009
|
126 |
5-6 |
p. 371-382
|
artikel
|
| 7 |
Theoretical basis for the correlation between energetic, magnetic, and electron density criteria of aromaticity: definition of molecular circuit electric conductance
|
Mandado, Marcos
|
|
2009
|
126 |
5-6 |
p. 339-349
|
artikel
|
| 8 |
Theoretical design study on photophysical property of the B–N derivatives for OLED applications
|
Zou, Lu-Yi
|
|
2009
|
126 |
5-6 |
p. 361-369
|
artikel
|
| 9 |
Theoretical study of the excited-state intramolecular proton transfer and rotamerism in 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole
|
Jin, Ruifa
|
|
2009
|
126 |
5-6 |
p. 351-360
|
artikel
|
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